Details of the Drug

General Information of Drug (ID: DMPMYTE)

• Drug Name: D-glucosamine-phosphate
• Synonyms: D-glucosamine 6-phosphate; D-glucosamine phosphate; EN300-258467; XHMJOUIAFHJHBW-IVMDWMLBSA-N; glucosamine-6-phosphate; 2-Amino-2-deoxy-D-glucopyranose 6-phosphoric acid; D-GLUCOSAMINE6-PHOSPHATE; 2-amino-2-deoxy-6-O-phosphono-D-glucopyranose; 2-amino-2-deoxy-D-glucopyranose 6-(dihydrogen phosphate); 2-amino-2-deoxy-D-glucopyranose 6-phosphate; 6590AH; AC1L9AD1; C00352; C6H14NO8P; CHEBI:47987; CHEMBL3426569; MFCD00067382; SCHEMBL13321929; WURCS=2.0/1,1,0/[a2122h-1x_1-5_2*N_6*OPO/3O/3=O]/1/
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 259.149
  Logarithm of the Partition Coefficient (xlogp); -6.8
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 6
  Hydrogen Bond Acceptor Count (hbondacc); 9
• Chemical Identifiers:
  Formula: C6H14NO8P
  IUPAC Name: [(2R,3S,4R,5R)-5-amino-3,4,6-trihydroxyoxan-2-yl]methyl dihydrogen phosphate
  Canonical SMILES: C(C1C(C(C(C(O1)O)N)O)O)OP(=O)(O)O
  InChI: XHMJOUIAFHJHBW-IVMDWMLBSA-N
  InChIKey: 1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6?/m1/s1
• Cross-matching ID:
  PubChem CID: 440997
  ChEBI ID: CHEBI:47987
  CAS Number: 3616-42-0
  INTEDE ID: DR2080

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Glucosamine-6-phosphate deaminase 2 (GNPDA2)	DEPJGQB	GNPI2_HUMAN	Substrate	[1]
Glucosamine-6-phosphate deaminase 1 (GNPDA1)	DE8451N	GNPI1_HUMAN	Substrate	[1]

References

• [1] Allosteric kinetics of the isoform 1 of human glucosamine-6-phosphate deaminase. Biochim Biophys Acta. 2011 Dec;1814(12):1846-53.